UCSF

ZINC42771762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.06 11.06 -126.18 2 4 2 35 294.439 9
Hi High (pH 8-9.5) 3.06 6.87 -5.47 0 4 0 33 292.423 9
Mid Mid (pH 6-8) 3.06 8.6 -43.3 1 4 1 34 293.431 9
Mid Mid (pH 6-8) 3.06 9.34 -40.83 1 4 1 34 293.431 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )